Éter Diveratrilo - ≥98% , CAS No.23702-54-7

CAS: 23702-54-7 Cat. No.: D155753 Fórmula: C₁₈H₂₂O₅ Peso molecular: 318.37 Número CE: 664-982-8

GRADE & PURITY ≥98%

Synonyms

InChI=1/C18H22O5/c1-19-15-7-5-13(9-17(15)21-3)11-23-12-14-6-8-16(20-2)18(10-14)22-4/h5-10H,11-12H2,1-4H3 | Benzene, 1,1'-[oxybis(methylene)]bis[3,4-dimethoxy- | 4-[(3,4-dimethoxyphenyl)methoxymethyl]-1,2-dimethoxybenzene | MFCD00025741 | T70615 | NSC14183

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C18H22O5/c1-19-15-7-5-13(9-17(15)21-3)11-23-12-14-6-8-16(20-2)18(10-14)22-4/h5-10H,11-12H2,1-4H3 | Benzene, 1,1'-[oxybis(methylene)]bis[3,4-dimethoxy- | 4-[(3,4-dimethoxyphenyl)methoxymethyl]-1,2-dimethoxybenzene | MFCD00025741 | T70615 | NSC14183

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504758305
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758305
• Sorrisos canónicos: COC1=C(C=C(C=C1)COCC2=CC(=C(C=C2)OC)OC)OC
• IUPAC Name: 4-[(3,4-dimethoxyphenyl)methoxymethyl]-1,2-dimethoxybenzene
• InChIKey: KTFBMMKWTQVUIV-UHFFFAOYSA-N
• INCHI: 1S/C18H22O5/c1-19-15-7-5-13(9-17(15)21-3)11-23-12-14-6-8-16(20-2)18(10-14)22-4/h5-10H,11-12H2,1-4H3
• SMILES isoméricas: COC1=C(C=C(C=C1)COCC2=CC(=C(C=C2)OC)OC)OC
• Peso molecular: 318.37
• Reaxy-Rn: 1891185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1891185&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzylethers Phenoxy compounds Anisoles Alkyl aryl ethers Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Benzylether - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Ponto de fusão (°C): 73 °C
• Peso molecular: 318.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 318.147 Da
• Monoisotopic Mass: 318.147 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23702-54-7, the molecular formula is C18H22O5, and the molecular weight is 318.37 g/mol. InChIKey KTFBMMKWTQVUIV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.